On Target NEP_HUMAN 0.25263157/CHEMBL4085997
For the given ligand Etoricoxib, we have found in our database that, being scored 0.25263157, the most similar ligand is CHEMBL4085997. Check out the elaboration below.
| Etoricoxib (Given Ligand) | CHEMBL4085997 (Similar Ligand) |
|---|---|
| Cc3ccc(c1ncc(Cl)cc1c2ccc(S(C)(=O)=O)cc2)cn3 | OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CC(=O)C(S)Cc3ccccc3)Cc4ccccc4 |
|
|
|
|
|
|
| 0002a002 00811201 00024100 10910210 00041020 04000008 01000001 00480004 00000100 10000850 0000a084 60008810 06004808 00210000 a0220000 820c0004 04020000 02003004 04200008 10402006 c0000000 08008100 31800000 08400009 00040803 80080200 08040240 00000060 0040c004 00020400 00000820 01030020 | 00030002 01005a00 00100102 41910610 00041088 00000000 00002000 20000004 00600880 010908c0 08300004 4003b000 1e00880a 00640800 80080040 000c000c 10000000 02000000 00602408 00000201 40000100 18208e18 23800140 93500018 00043801 80000000 08000000 10000040 04000002 0006000b 20064200 01c12620 |